(2-cyano-4-octan-2-yl-phenyl) 1-(4-nonylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-octan-2-yl-phenyl) 1-(4-nonylphenyl)cyclohexane-1-carboxylate Openeye Name: [2-cyano-4-(1-methylheptyl)phenyl] 1-(4-nonylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-nonylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-octan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-octan-2-ylphenyl) 1-(4-nonylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-nonylphenyl)cyclohexanecarboxylic acid [2-cyano-4-(1-methylheptyl)phenyl] ester Formula: C37H53NO2 MolecularWeight: 543.82222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C(C)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C(C)CCCCCC)C#N

InChI

InChI=1S/C37H53NO2/c1-4-6-8-10-11-12-15-19-31-20-23-34(24-21-31)37(26-16-13-17-27-37)36(39)40-35-25-22-32(28-33(35)29-38)30(3)18-14-9-7-5-2/h20-25,28,30H,4-19,26-27H2,1-3H3